3-({5-Bromo-4-[pyrrolidin-1-yl]pyrimidin-2-yl}amino)phenol
نویسندگان
چکیده
منابع مشابه
3 - ( { 5 - Bromo - 4 - [ pyrrolidin - 1 - yl ] pyrimidin - 2 - yl } amino ) phenol
Re-investigation of the 1H-NMR spectrum reported for 15-bromo-4-oxa-2,9diaza-1(2,4)-pyrimidine-3(1,3)-benzenacyclononaphane (2) prepared via a Mitsunobumediated macroether cyclisation led to a proposed structural isomer (3). The title compound (3) was prepared via a two-step protocol and assigned using 1H, 13C-NMR and LC-MS.
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The asymmetric unit of the title compound, C(13)H(11)BrN(2)OS, consists of two crystallographically independent mol-ecules (A and B). In each mol-ecule, the pyrrolidine ring adopts an envelope conformation with a methyl-ene C atom as the flap atom. In mol-ecule A, the central thia-zole ring makes a dihedral angle of 36.69 (11)° with the adjacent phenyl ring, whereas the corresponding angle is 3...
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In the title compound, C15H11BrN4OS, the least-squares plane through the 5-bromo-isatin fragment forms a dihedral angle of 13.63 (14)° with the phenyl ring. The mol-ecular conformation features intra-molecular N-H⋯N and N-H⋯O hydrogen bonds. In the crystal, mol-ecules are connected via pairs of N-H⋯O inter-actions into centrosymmetric dimers. Additionally, π-π stacking inter-actions link mol-ec...
متن کامل5-Bromo-3-ethylsulfinyl-2-(4-methylphenyl)-1-benzofuran
In the title compound, C17H15BrO2S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.004 (3) Å] and that of the 4-methyl-phenyl ring is 0.9 (2)°. In the crystal, mol-ecules are linked by C-H⋯O, C-H⋯π and Br⋯π [3.636 (2) Å] inter-actions, and by π-π inter-actions between the 4-methyl-phenyl and furan rings of neighbouring mol-ecules [centroid-centroid dis...
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ژورنال
عنوان ژورنال: Molbank
سال: 2015
ISSN: 1422-8599
DOI: 10.3390/m859